Information card for entry 7228696

Structure parameters

• Formula: C11 H10 Br0 N O
• Calculated formula: C5.8 H13.6 Br0.8 N0.8 O1.4
• Title of publication: An introduction to zwitterionic salts
• Authors of publication: Blesic, Marijana; Gilmore, Brendan F.; Holbrey, John D.; Jacquemin, Johan; Level, Gaelle; Nockemann, Peter; Stella, Lorenzo
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 7.152 ± 0.0007 Å
• b: 8.1484 ± 0.0006 Å
• c: 20.7756 ± 0.0009 Å
• α: 90.232 ± 0.005°
• β: 98.462 ± 0.006°
• γ: 113.488 ± 0.009°
• Cell volume: 1095.71 ± 0.16 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 ± 8 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.3108
• Weighted residual factors for all reflections included in the refinement: 0.3187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No